N-[(3-ethyl-1,4-dithian-2-yl)-(oxan-3-yl)methyl]ethanamine

C14H27NOS2 — CID 107136767

IUPACN-[(3-ethyl-1,4-dithian-2-yl)-(oxan-3-yl)methyl]ethanamine
SMILESCCNC(C1CCCOC1)C1SCCSC1CC
InChIInChI=1S/C14H27NOS2/c1-3-12-14(18-9-8-17-12)13(15-4-2)11-6-5-7-16-10-11/h11-15H,3-10H2,1-2H3
InChIKeyULWRJJLQIGJAGX-UHFFFAOYSA-N
MW289.51 g/mol
LogP3.02
Rot. Bonds5

About N-[(3-ethyl-1,4-dithian-2-yl)-(oxan-3-yl)methyl]ethanamine

N-[(3-ethyl-1,4-dithian-2-yl)-(oxan-3-yl)methyl]ethanamine (PubChem CID 107136767) has the molecular formula C14H27NOS2 and a molecular weight of 289.51 g/mol. Its IUPAC name is N-[(3-ethyl-1,4-dithian-2-yl)-(oxan-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(3-ethyl-1,4-dithian-2-yl)-(oxan-3-yl)methyl]ethanamine
PubChem CID107136767
Molecular FormulaC14H27NOS2
Molecular Weight289.51 g/mol
Exact Mass289.15
IUPAC NameN-[(3-ethyl-1,4-dithian-2-yl)-(oxan-3-yl)methyl]ethanamine
SMILESCCNC(C1CCCOC1)C1SCCSC1CC
InChIInChI=1S/C14H27NOS2/c1-3-12-14(18-9-8-17-12)13(15-4-2)11-6-5-7-16-10-11/h11-15H,3-10H2,1-2H3
InChIKeyULWRJJLQIGJAGX-UHFFFAOYSA-N
XLogP3.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.51
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-ethyl-1,4-dithian-2-yl)-(oxan-4-yl)methyl]ethanamine
CID 115387957
N-[oxan-3-yl-[4-(trifluoromethyl)cyclohexyl]methyl]ethanamine
CID 107138706
N-ethyl-1-(oxan-3-yl)-2-(oxan-4-yl)ethanamine
CID 65331868
N-[(1,1-dioxothian-2-yl)-(oxan-3-yl)methyl]ethanamine
CID 107138862
2-(ethylamino)-2-(oxan-3-yl)acetonitrile
CID 63741653
N-[1,9-dioxaspiro[5.5]undecan-4-yl(oxan-3-yl)methyl]ethanamine
CID 79910522
N-[(3-methyl-1,4-dithian-2-yl)-(6-oxaspiro[4.5]decan-9-yl)methyl]ethanamine
CID 115387067
cycloheptyl-(3-ethyl-1,4-dithian-2-yl)methanamine
CID 82931537
N-ethyl-1-(oxan-3-yl)pentan-1-amine
CID 65331760
3-(ethylamino)-3-(oxan-3-yl)propan-1-ol
CID 65239845
[1-(3-ethyl-1,4-dithian-2-yl)-2-(oxan-4-yl)ethyl]hydrazine
CID 105259825
N-[(2-methylcyclopropyl)-(oxolan-3-yl)methyl]ethanamine
CID 65419974

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethyl-1,4-dithian-2-yl)-(oxan-3-yl)methyl]ethanamine?
The IUPAC name of N-[(3-ethyl-1,4-dithian-2-yl)-(oxan-3-yl)methyl]ethanamine (CID 107136767) is N-[(3-ethyl-1,4-dithian-2-yl)-(oxan-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(3-ethyl-1,4-dithian-2-yl)-(oxan-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(3-ethyl-1,4-dithian-2-yl)-(oxan-3-yl)methyl]ethanamine is CCNC(C1CCCOC1)C1SCCSC1CC.
What is the InChIKey of N-[(3-ethyl-1,4-dithian-2-yl)-(oxan-3-yl)methyl]ethanamine?
The InChIKey is ULWRJJLQIGJAGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NOS2/c1-3-12-14(18-9-8-17-12)13(15-4-2)11-6-5-7-16-10-11/h11-15H,3-10H2,1-2H3.
What are the key properties of N-[(3-ethyl-1,4-dithian-2-yl)-(oxan-3-yl)methyl]ethanamine?
N-[(3-ethyl-1,4-dithian-2-yl)-(oxan-3-yl)methyl]ethanamine has a molecular weight of 289.51 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethyl-1,4-dithian-2-yl)-(oxan-3-yl)methyl]ethanamine is sourced from PubChem (CID 107136767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).